4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C15H25N4O4S+ MolecularWeight: 357.4484

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O4S/c1-4-17-7-9-18(10-8-17)14-6-5-13(11-15(14)19(20)21)24(22,23)16-12(2)3/h5-6,11-12,16H,4,7-10H2,1-3H3/p+1